Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28848236 | 0.78 | ALDH1A1 (0.40) | ALDH1A1L3MBTL1ATMMEN1KMT2A | |
| SCHEMBL28848244 | 0.74 | LMNA (0.34) | SMN1; SMN2CYP1A2CYP2D6CYP2C19LMNA | |
| SCHEMBL32665676 | 0.71 | — | — | |
| SCHEMBL32665675 | 0.71 | — | — | |
| Potassium SCHEMBL32665672 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL32665670 | 0.70 | — | — | |
| SCHEMBL12335519 | 0.66 | SMN1; SMN2 (0.44) | ALDH1A1L3MBTL1ATMMEN1KMT2A | |
| SCHEMBL28683802 | 0.61 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1ATMMEN1KMT2A | |
| SCHEMBL18420416 | 0.61 | ALDH1A1 (0.40) | ALDH1A1L3MBTL1ATMMEN1KMT2A | |
| SCHEMBL29091846 | 0.60 | L3MBTL1 (0.50) | ALDH1A1L3MBTL1ATMMEN1KMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115124471-B | Pyrazole ring explosive with high energy and low melting point characteristics and synthesis method thereof | 中国工程物理研究院化工材料研究所 | 2024-02-13 | — | — | CN | disclosed |
| CN-115124471-A | Pyrazole ring explosive with high-energy and low-melting-point characteristics and synthesis method thereof | 中国工程物理研究院化工材料研究所 | 2022-09-30 | — | — | CN | disclosed |